4,5-dimethylhex-4-en-1-ol

C8H16O — CID 57272989

IUPAC4,5-dimethylhex-4-en-1-ol
SMILESCC(C)=C(C)CCCO
InChIInChI=1S/C8H16O/c1-7(2)8(3)5-4-6-9/h9H,4-6H2,1-3H3
InChIKeyIWRUHKVZLNJKJN-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.12
Rot. Bonds3

About 4,5-dimethylhex-4-en-1-ol

4,5-dimethylhex-4-en-1-ol (PubChem CID 57272989) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 4,5-dimethylhex-4-en-1-ol.

Molecular Properties

Compound Name4,5-dimethylhex-4-en-1-ol
PubChem CID57272989
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name4,5-dimethylhex-4-en-1-ol
SMILESCC(C)=C(C)CCCO
InChIInChI=1S/C8H16O/c1-7(2)8(3)5-4-6-9/h9H,4-6H2,1-3H3
InChIKeyIWRUHKVZLNJKJN-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhex-4-en-1-ol?
The IUPAC name of 4,5-dimethylhex-4-en-1-ol (CID 57272989) is 4,5-dimethylhex-4-en-1-ol.
What is the SMILES notation for 4,5-dimethylhex-4-en-1-ol?
The canonical SMILES for 4,5-dimethylhex-4-en-1-ol is CC(C)=C(C)CCCO.
What is the InChIKey of 4,5-dimethylhex-4-en-1-ol?
The InChIKey is IWRUHKVZLNJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)8(3)5-4-6-9/h9H,4-6H2,1-3H3.
What are the key properties of 4,5-dimethylhex-4-en-1-ol?
4,5-dimethylhex-4-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhex-4-en-1-ol is sourced from PubChem (CID 57272989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).